3,5,8-trimethylnon-1-ene

C12H24 — CID 123935828

IUPAC3,5,8-trimethylnon-1-ene
SMILESC=CC(C)CC(C)CCC(C)C
InChIInChI=1S/C12H24/c1-6-11(4)9-12(5)8-7-10(2)3/h6,10-12H,1,7-9H2,2-5H3
InChIKeyCZUYBTSORAKUFU-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.27
Rot. Bonds6

About 3,5,8-trimethylnon-1-ene

3,5,8-trimethylnon-1-ene (PubChem CID 123935828) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 3,5,8-trimethylnon-1-ene.

Molecular Properties

Compound Name3,5,8-trimethylnon-1-ene
PubChem CID123935828
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name3,5,8-trimethylnon-1-ene
SMILESC=CC(C)CC(C)CCC(C)C
InChIInChI=1S/C12H24/c1-6-11(4)9-12(5)8-7-10(2)3/h6,10-12H,1,7-9H2,2-5H3
InChIKeyCZUYBTSORAKUFU-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3,5,8-trimethylnon-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-dimethylhept-1-ene
CID 18443713
3,6-dimethylhept-1-ene;ethane
CID 142076338
3,6,7,10-tetramethylundec-1-ene
CID 123914302
3,8-dimethylnon-1-ene
CID 54356105
3,6,8-trimethyldodec-1-ene
CID 123174555
(3R,7S)-3,7,11-trimethyldodec-1-ene
CID 25113592
3,5-dimethylhept-1-ene;ethane;heptane;2-methylpentane
CID 163391966
2-bromo-4,7-dimethyloctane
CID 64718592
2,3,5,8-tetramethylnon-1-ene
CID 123958758
ethane;2-methylpropane;propane;2,4,7-trimethyloctane
CID 144533739
3,6,7,10-tetramethyldodec-1-ene
CID 143243689
3,5,8-trimethylnona-1,7-diene
CID 123488814

Frequently Asked Questions

What is the IUPAC name of 3,5,8-trimethylnon-1-ene?
The IUPAC name of 3,5,8-trimethylnon-1-ene (CID 123935828) is 3,5,8-trimethylnon-1-ene.
What is the SMILES notation for 3,5,8-trimethylnon-1-ene?
The canonical SMILES for 3,5,8-trimethylnon-1-ene is C=CC(C)CC(C)CCC(C)C.
What is the InChIKey of 3,5,8-trimethylnon-1-ene?
The InChIKey is CZUYBTSORAKUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-6-11(4)9-12(5)8-7-10(2)3/h6,10-12H,1,7-9H2,2-5H3.
What are the key properties of 3,5,8-trimethylnon-1-ene?
3,5,8-trimethylnon-1-ene has a molecular weight of 168.32 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,8-trimethylnon-1-ene is sourced from PubChem (CID 123935828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).